2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindol-4-ol

C12H15N3O — CID 14064739

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindol-4-ol
SMILESCN1c2cccc(O)c2CC1C1=NCCN1
InChIInChI=1S/C12H15N3O/c1-15-9-3-2-4-11(16)8(9)7-10(15)12-13-5-6-14-12/h2-4,10,16H,5-7H2,1H3,(H,13,14)
InChIKeyVBDVEGQPLQWHBH-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.75
Rot. Bonds1

About 2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindol-4-ol

2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindol-4-ol (PubChem CID 14064739) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindol-4-ol.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindol-4-ol
PubChem CID14064739
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindol-4-ol
SMILESCN1c2cccc(O)c2CC1C1=NCCN1
InChIInChI=1S/C12H15N3O/c1-15-9-3-2-4-11(16)8(9)7-10(15)12-13-5-6-14-12/h2-4,10,16H,5-7H2,1H3,(H,13,14)
InChIKeyVBDVEGQPLQWHBH-UHFFFAOYSA-N
XLogP0.75
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindol-4-ol?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindol-4-ol (CID 14064739) is 2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindol-4-ol.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindol-4-ol?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindol-4-ol is CN1c2cccc(O)c2CC1C1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindol-4-ol?
The InChIKey is VBDVEGQPLQWHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15-9-3-2-4-11(16)8(9)7-10(15)12-13-5-6-14-12/h2-4,10,16H,5-7H2,1H3,(H,13,14).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindol-4-ol?
2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindol-4-ol has a molecular weight of 217.27 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindol-4-ol is sourced from PubChem (CID 14064739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).